Basic information
- Standard SMILES
CNc1ncnc2c1ncn2/C=C/c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C- InChIKey
BZGNECUWAFBECM-CMDGGOBGSA-N- Molecular formula
- C23H19F3N6O
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- N-[3-[2-[6-(Methylamino)-9H-purine-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
- IUPAC
- N-[4-methyl-3-[(E)-2-[6-(methylamino)purin-9-yl]ethenyl]phenyl]-3-(trifluoromethyl)benzamide
Names & synonyms
CHEMBL558475SCHEMBL4124493BDBM50294016N-[3-[2-[6-(Methylamino)-9H-purine-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide(E)-N-(4-Methyl-3-(2-(6-(methylamino)-9H-purin-9-yl)vinyl)phenyl)-3-(trifluoromethyl)benzamide(E)-N-(4-Methyl-3-(2-(6-(methylamino)-9Hpurin-9-yl)vinyl)phenyl)-3-(trifluoromethyl)-benzamide
Database identifiers
- PubChem CID
- 15950818
- ChEMBL
CHEMBL558475- Nikkaji
- J2.506.190J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 704
Related reactions
4 records
Compound notes
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